Geometry & MOs

Info

ID:	292050
PubChem CID:	114157655
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	299.001003
ΔH_f, kcal/mol:	-79.6
Dipole, Da:	1.66
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

C1CC(C1)CCOC(=O)C2=CC(=CC(=C2)Cl)N

DOS

IR

Vibrations